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MD simulation trajectory for POPC/50% Chol bilayer (CHARMM36, Gromacs 4.5)

Dataset published in 2015 by Hubert Santuz ORCID
This paper is available in a repository.
This paper is available in a repository.

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Preprint: policy unknown
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Postprint: policy unknown
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Published version: policy unknown

Abstract

Equilibrated POPC/50%CHL lipid bilayer ran with Gromacs 4.5 with CHARMM36 lipid forcefield. The simulation is composed of 80 POPC/80 Cholesterol at full hydratation and ran for 200ns at 303K, data saved every 20ps. All input parameters can be find on the github repository: https://github.com/NMRLipids/nmrlipids.blogspot.fi This data is used in the project "Matching lipid force fields with NMR data". More information at : http://nmrlipids.blogspot.fi/